Information card for entry 7016690

Structure parameters

• Common name: NP2NiBr
• Formula: C16 H36 Br N Ni P2
• Calculated formula: C16 H36 Br N Ni P2
• SMILES: C(C)(C)[P]1(C(C)C)CCN2CC[P](C(C)C)(C(C)C)[Ni]12Br
• Title of publication: Metal complexes of Co, Ni and Cu with the pincer ligand HN(CH(2)CH(2)P(i)Pr(2))(2): preparation, characterization and electrochemistry.
• Authors of publication: Rozenel, Sergio S.; Kerr, John B.; Arnold, John
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 40
• Pages of publication: 10397 - 10405
• a: 7.6375 ± 0.0013 Å
• b: 13.287 ± 0.002 Å
• c: 21.376 ± 0.004 Å
• α: 80.639 ± 0.002°
• β: 79.962 ± 0.002°
• γ: 78.139 ± 0.002°
• Cell volume: 2072.2 ± 0.6 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No